N,N-diethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butan-1-amine

C15H27N3O — CID 71711276

IUPACN,N-diethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butan-1-amine
SMILESCCN(CC)CCCCOc1cc2n(n1)CCCC2
InChIInChI=1S/C15H27N3O/c1-3-17(4-2)10-7-8-12-19-15-13-14-9-5-6-11-18(14)16-15/h13H,3-12H2,1-2H3
InChIKeyJTTUZDJGMKBBBT-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.72
Rot. Bonds8

About N,N-diethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butan-1-amine

N,N-diethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butan-1-amine (PubChem CID 71711276) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N,N-diethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butan-1-amine
PubChem CID71711276
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN,N-diethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butan-1-amine
SMILESCCN(CC)CCCCOc1cc2n(n1)CCCC2
InChIInChI=1S/C15H27N3O/c1-3-17(4-2)10-7-8-12-19-15-13-14-9-5-6-11-18(14)16-15/h13H,3-12H2,1-2H3
InChIKeyJTTUZDJGMKBBBT-UHFFFAOYSA-N
XLogP2.72
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butan-1-amine?
The IUPAC name of N,N-diethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butan-1-amine (CID 71711276) is N,N-diethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butan-1-amine.
What is the SMILES notation for N,N-diethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butan-1-amine?
The canonical SMILES for N,N-diethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butan-1-amine is CCN(CC)CCCCOc1cc2n(n1)CCCC2.
What is the InChIKey of N,N-diethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butan-1-amine?
The InChIKey is JTTUZDJGMKBBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-17(4-2)10-7-8-12-19-15-13-14-9-5-6-11-18(14)16-15/h13H,3-12H2,1-2H3.
What are the key properties of N,N-diethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butan-1-amine?
N,N-diethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butan-1-amine is sourced from PubChem (CID 71711276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).